6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C19H30N4O2 — CID 51054870

IUPAC6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1CCc2[nH]c(=O)c(C(=O)NCCCN3CCN(C)CC3)cc2C1
InChIInChI=1S/C19H30N4O2/c1-14-4-5-17-15(12-14)13-16(19(25)21-17)18(24)20-6-3-7-23-10-8-22(2)9-11-23/h13-14H,3-12H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyPTLMOAYOKCMLDG-UHFFFAOYSA-N
MW346.48 g/mol
LogP0.87
Rot. Bonds5

About 6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 51054870) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID51054870
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1CCc2[nH]c(=O)c(C(=O)NCCCN3CCN(C)CC3)cc2C1
InChIInChI=1S/C19H30N4O2/c1-14-4-5-17-15(12-14)13-16(19(25)21-17)18(24)20-6-3-7-23-10-8-22(2)9-11-23/h13-14H,3-12H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyPTLMOAYOKCMLDG-UHFFFAOYSA-N
XLogP0.87
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 51054870) is 6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1CCc2[nH]c(=O)c(C(=O)NCCCN3CCN(C)CC3)cc2C1.
What is the InChIKey of 6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is PTLMOAYOKCMLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14-4-5-17-15(12-14)13-16(19(25)21-17)18(24)20-6-3-7-23-10-8-22(2)9-11-23/h13-14H,3-12H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of 6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 51054870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).